2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol

C26H26FNO — CID 18423540

IUPAC2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
SMILESOC1CCN(C/C=C/c2ccccc2)C(c2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C26H26FNO/c27-24-10-4-9-23(18-24)21-11-13-22(14-12-21)26-19-25(29)15-17-28(26)16-5-8-20-6-2-1-3-7-20/h1-14,18,25-26,29H,15-17,19H2/b8-5+
InChIKeyKABMZTBGUFJMCM-VMPITWQZSA-N
MW387.50 g/mol
LogP5.70
Rot. Bonds5

About 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol

2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol (PubChem CID 18423540) has the molecular formula C26H26FNO and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
PubChem CID18423540
Molecular FormulaC26H26FNO
Molecular Weight387.50 g/mol
Exact Mass387.20
IUPAC Name2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
SMILESOC1CCN(C/C=C/c2ccccc2)C(c2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C26H26FNO/c27-24-10-4-9-23(18-24)21-11-13-22(14-12-21)26-19-25(29)15-17-28(26)16-5-8-20-6-2-1-3-7-20/h1-14,18,25-26,29H,15-17,19H2/b8-5+
InChIKeyKABMZTBGUFJMCM-VMPITWQZSA-N
XLogP5.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol (CID 18423540) is 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol is OC1CCN(C/C=C/c2ccccc2)C(c2ccc(-c3cccc(F)c3)cc2)C1.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
The InChIKey is KABMZTBGUFJMCM-VMPITWQZSA-N. The full InChI is InChI=1S/C26H26FNO/c27-24-10-4-9-23(18-24)21-11-13-22(14-12-21)26-19-25(29)15-17-28(26)16-5-8-20-6-2-1-3-7-20/h1-14,18,25-26,29H,15-17,19H2/b8-5+.
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol?
2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol has a molecular weight of 387.50 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 18423540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).